(3S,4R)-4-(2-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate

Systemtic Name: (3S,4R)-4-(2-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate Openeye Name: (3S,4R)-1-tert-butoxycarbonyl-4-(2-cyanophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(2-cyanophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylate IUPAC Name: (3S,4R)-4-(2-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-tert-butoxycarbonyl-4-(2-cyanophenyl)pyrrolidine-3-carboxylate Formula: C17H19N2O4- MolecularWeight: 315.34376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)[O-])C2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC=CC=C2C#N

InChI

InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-7-5-4-6-11(12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/p-1/t13-,14+/m0/s1